[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C14H26N2O2 — CID 135165747

IUPAC[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCC1(C(=O)N2CCN(C(C)C)CC2)CCC1
InChIInChI=1S/C14H26N2O2/c1-12(2)15-7-9-16(10-8-15)13(17)14(11-18-3)5-4-6-14/h12H,4-11H2,1-3H3
InChIKeyWRHVRQXAUQRTHS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.36
Rot. Bonds4

About [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 135165747) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID135165747
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCC1(C(=O)N2CCN(C(C)C)CC2)CCC1
InChIInChI=1S/C14H26N2O2/c1-12(2)15-7-9-16(10-8-15)13(17)14(11-18-3)5-4-6-14/h12H,4-11H2,1-3H3
InChIKeyWRHVRQXAUQRTHS-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone
CID 137345424
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 74245884
[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014799
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 74235574
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
[4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 120646466
1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 72855120
2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120640227

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 135165747) is [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone is COCC1(C(=O)N2CCN(C(C)C)CC2)CCC1.
What is the InChIKey of [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is WRHVRQXAUQRTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)15-7-9-16(10-8-15)13(17)14(11-18-3)5-4-6-14/h12H,4-11H2,1-3H3.
What are the key properties of [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 135165747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).